[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate

C15H28O2 — CID 54562793

IUPAC[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)C=CC[C@H](C)CCCC(C)C
InChIInChI=1S/C15H28O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h7,11-14H,6,8-10H2,1-5H3/t13-,14-/m1/s1
InChIKeyZRSLTMGMDKBDMX-ZIAGYGMSSA-N
MW240.39 g/mol
LogP4.35
Rot. Bonds8

About [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate

[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate (PubChem CID 54562793) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
PubChem CID54562793
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)C=CC[C@H](C)CCCC(C)C
InChIInChI=1S/C15H28O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h7,11-14H,6,8-10H2,1-5H3/t13-,14-/m1/s1
InChIKeyZRSLTMGMDKBDMX-ZIAGYGMSSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
CID 14368742
[(E)-6-methylhept-3-en-2-yl] acetate
CID 135085622
(6R)-6,10-dimethylundec-3-en-2-ol
CID 54275646
(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide
CID 22796786
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
propan-2-yl (7S)-2-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 123654534
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
[(Z,2S)-hept-3-en-6-yn-2-yl] acetate
CID 11240593
potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 23666617
6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
CID 86138659

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate?
The IUPAC name of [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate (CID 54562793) is [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate.
What is the SMILES notation for [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate?
The canonical SMILES for [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate is CC(=O)O[C@H](C)C=CC[C@H](C)CCCC(C)C.
What is the InChIKey of [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate?
The InChIKey is ZRSLTMGMDKBDMX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h7,11-14H,6,8-10H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate?
[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate has a molecular weight of 240.39 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate is sourced from PubChem (CID 54562793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).